(E)-2-(4-chlorophenyl)sulfonyl-3-[1-phenyl-3-(4-prop-2-enoxyphenyl)pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(4-chlorophenyl)sulfonyl-3-[1-phenyl-3-(4-prop-2-enoxyphenyl)pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-3-[3-(4-allyloxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(4-chlorophenyl)sulfonyl-prop-2-enenitrile CAS Name: (E)-2-(4-chlorophenyl)sulfonyl-3-[1-phenyl-3-(4-prop-2-enoxyphenyl)-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-2-(4-chlorophenyl)sulfonyl-3-[1-phenyl-3-(4-prop-2-enoxyphenyl)pyrazol-4-yl]prop-2-enenitrile Traditional Name: (E)-3-[3-(4-allyloxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(4-chlorophenyl)sulfonyl-acrylonitrile Formula: C27H20ClN3O3S MolecularWeight: 501.984

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C=CCOC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/S(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C27H20ClN3O3S/c1-2-16-34-24-12-8-20(9-13-24)27-21(19-31(30-27)23-6-4-3-5-7-23)17-26(18-29)35(32,33)25-14-10-22(28)11-15-25/h2-15,17,19H,1,16H2/b26-17+